CID 484394

250720-23-1

Structural Information

Molecular Formula
C19H28O
SMILES
CCC1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C19H28O/c1-5-13-14-7-10-17-18(2,3)11-6-12-19(17,4)15(14)8-9-16(13)20/h8-9,17,20H,5-7,10-12H2,1-4H3/t17-,19+/m0/s1
InChIKey
VZQGJBYAFJHRGT-PKOBYXMFSA-N
Compound name
(4bS,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.21402 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.221296 166.8
[M+Na]+ 295.203238 173.9
[M-H]- 271.206744 170.3
[M+NH4]+ 290.247843 189.1
[M+K]+ 311.177178 168.9
[M+H-H2O]+ 255.211280 160.6
[M+HCOO]- 317.212221 180.3
[M+CH3COO]- 331.227871 201.2
[M+Na-2H]- 293.188686 170.6
[M]+ 272.21347142 163.6
[M]- 272.21456858 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.